Compound Identification
SMILES
CCc1cc(O)n2nc(SCc3ccc(Cl)cc3)nc2n1
InChIKey
InChIKey=XVIPGTAVUQGDMR-UHFFFAOYSA-N
Formula
C14H13ClN4OS
Mass
320.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Hydroxypyrimidines Chlorobenzenes Alkylarylthioethers Aryl chlorides Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Hydroxypyrimidine - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl chloride - Azole - 1,2,4-triazole - Triazole - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available